N-[[4-ethyl-5-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide

Systemtic Name: N-[[4-ethyl-5-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide Openeye Name: N-[[4-ethyl-5-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide CAS Name: N-[[4-ethyl-5-[[2-oxo-2-(phenethylamino)ethyl]thio]-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide IUPAC Name: N-[[4-ethyl-5-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide Traditional Name: N-[[4-ethyl-5-[[2-keto-2-(phenethylamino)ethyl]thio]-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide Formula: C23H27N5O2S MolecularWeight: 437.55778

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)CNC(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)CNC(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C23H27N5O2S/c1-3-28-20(15-25-22(30)19-11-7-8-17(2)14-19)26-27-23(28)31-16-21(29)24-13-12-18-9-5-4-6-10-18/h4-11,14H,3,12-13,15-16H2,1-2H3,(H,24,29)(H,25,30)